1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione Openeye Name: 1-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-5-iodo-pyrimidine-2,4-dione CAS Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]-5-iodopyrimidine-2,4-dione IUPAC Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione Traditional Name: 1-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-5-iodo-pyrimidine-2,4-quinone Formula: C30H29IN2O5S MolecularWeight: 656.53113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=C(C(=O)NC3=O)I)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=C(C(=O)NC3=O)I)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H29IN2O5S/c31-24-16-33(30(35)32-28(24)34)29-27(38-19-23-14-8-3-9-15-23)26(37-18-22-12-6-2-7-13-22)25(39-29)20-36-17-21-10-4-1-5-11-21/h1-16,25-27,29H,17-20H2,(H,32,34,35)